Molecule

ID:121392

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClFNO₃
Molecular Mass
365.8263432
Exact Mass
365.11939944
Charge
0
InChI
InChI=1S/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H
InChIKey
GELRVIPPMNMYGS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C1CCNCC1COc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12cc(OCC3C(c4ccc(cc4)F)CCNC3)ccc1OCO2.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.055298023
LogD (pH = 7.4)
0.82675153
Log P
3.1482487
Molar Refractivity
88.0237
Polarizability
34.4942
Polar Surface Area
39.72
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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